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MassXpert
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MassXpert (currently MassXpert3, of the http://www.msxpertsuite.org software collection) is a program
that allows one to perform the following tasks:
- Make brand new polymer chemistry definitions using powerful grammar rules;
- Use the polymer chemistry definitions to perform easily sophisticated
calculations in a desktop calculator-like manner;
- Perform sophisticated polymer chemistry simulations:
- Edit polymer sequences;
- Modify chemically the sequences, either in internal monomers or to the
- polymer ends;
- Cross-link monomers intra-sequence;
- Perform digestions (chemical/enzymatic) of the sequences and simulate the
oligomer produced thereof;
- Perform gas-phase fragmentations of precursor oligomers and simulate the
product-ion spectra;
- Perform arbitrary mass searches in the polymer sequence;
- Perform powerful peak list manipulations and comparisons.
MassXpert is written in C++ and is portable, with binaries built for GNU/Linux
and MS Windows.
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